(2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol

C19H36O2Si — CID 10860336

About (2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol

(2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol (PubChem CID 10860336) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is (2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol.

Molecular Properties

• Compound Name: (2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol
• PubChem CID: 10860336
• Molecular Formula: C19H36O2Si
• Molecular Weight: 324.58 g/mol
• Exact Mass: 324.25
• IUPAC Name: (2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol
• SMILES: C[C@@H](CO)[C@]1(C)CC[C@@H]2C1=CCC[C@@H]2O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C19H36O2Si/c1-14(13-20)19(5)12-11-15-16(19)9-8-10-17(15)21-22(6,7)18(2,3)4/h9,14-15,17,20H,8,10-13H2,1-7H3/t14-,15+,17-,19-/m0/s1
• InChIKey: SGCILBOVINRNFM-HIRMHNASSA-N
• XLogP: 5.14
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	324.58
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol?

The IUPAC name of (2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol (CID 10860336) is (2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol.

What is the SMILES notation for (2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol?

The canonical SMILES for (2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol is C[C@@H](CO)[C@]1(C)CC[C@@H]2C1=CCC[C@@H]2O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol?

The InChIKey is SGCILBOVINRNFM-HIRMHNASSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-14(13-20)19(5)12-11-15-16(19)9-8-10-17(15)21-22(6,7)18(2,3)4/h9,14-15,17,20H,8,10-13H2,1-7H3/t14-,15+,17-,19-/m0/s1.

What are the key properties of (2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol?

(2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol has a molecular weight of 324.58 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol is sourced from PubChem (CID 10860336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).